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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 587-61-1, Dionosil, Propiodone, Bronkhodiagnostin, Brosombra, Diostril

Molecular Formula

C₁₀H₁₁I₂NO₃

Molecular Weight

447.01 g/mol

InChI Key

ROSXARVHJNYYDO-UHFFFAOYSA-N

FDA UNII

5NPJ6BPX36

Radiopaque medium usually in oil; used in bronchography.

1 2D Structure

Propyliodone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propyl 2-(3,5-diiodo-4-oxopyridin-1-yl)acetate

2.1.2 InChI

InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3

2.1.3 InChI Key

ROSXARVHJNYYDO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCOC(=O)CN1C=C(C(=O)C(=C1)I)I

2.2 Other Identifiers

2.2.1 UNII

5NPJ6BPX36

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dionosil

2. Gastrotrast

3. Propiodone

2.3.2 Depositor-Supplied Synonyms

1. 587-61-1

2. Dionosil

3. Propiodone

4. Bronkhodiagnostin

5. Brosombra

6. Diostril

7. Bronchodiagnostin

8. Propyliodon

9. Propyliodonum

10. Dionosil Oily

11. A. G. 33-107

12. Propyl 3,5-diiodo-4-pyridone-n-acetate

13. Propyl 2-(3,5-diiodo-4-oxopyridin-1-yl)acetate

14. 3,5-diiodo-4-pyridone-n-acetic Acid Propyl Ester

15. Nsc 97103

16. 1(4h)-pyridineacetic Acid, 3,5-diiodo-4-oxo-, Propyl Ester

17. 3,5-diiodo-4-oxo-1(4h)-pyridineacetic Acid Propyl Ester

18. Nsc-97103

19. 5npj6bpx36

20. Propyl 3,5-diiodo-4-oxo-1(4h) Pyridineacetate

21. Propyl 2-(3,5-diiodo-4-oxopyridin-1(4h)-yl)acetate

22. Propiliodona

23. Dionosil Aqueous

24. Propyliodonum [inn-latin]

25. Propiliodona [inn-spanish]

26. Einecs 209-603-5

27. Unii-5npj6bpx36

28. Brn 0206829

29. A.g. 33-107

30. Propyl 3,5-diiodo-4-oxo-1(4h)-pyridineacetate

31. Propyliodone [usp:inn:ban:jan]

32. Dionosil Oily (tn)

33. Propyliodone [mi]

34. Propyliodone [inn]

35. Propyliodone [jan]

36. Propyliodone [vandf]

37. Schembl38586

38. Propyliodone [mart.]

39. Propyliodone [who-dd]

40. Propyliodone [who-ip]

41. Propyl (3,5-diiodo-4-oxopyridin-1(4h)-yl)acetate

42. Propyliodone (jan/usp/inn)

43. Chembl1200821

44. Dtxsid6023527

45. Chebi:32064

46. Propyliodone [orange Book]

47. Propyliodone [usp Impurity]

48. Nsc97103

49. Zinc3831392

50. Propyliodonum [who-ip Latin]

51. Wln: T6n Dvj A1vo3 Ci Ei

52. Db09366

53. Hy-107925

54. Cs-0030876

55. 3,5-diodo-1-propoxycarbonylmethylpyrid-4-one

56. D01755

57. Propyl-3,5-diiodo-4-oxo-1(4h)pyridineacetate

58. Propyl-3,5-diiodo-4-oxo-1(4h)pyridine, Acetate

59. 2-pyridin-4-yl-1-(4-trifluoromethylphenyl)ethanone

60. Propyl (3,5-diiodo-4-oxo-1(4h)-pyridinyl)acetate

61. Q7250472

62. Propyl (3,5-diiodo-4-oxo-1(4h)-pyridinyl)acetate #

63. 1(4h)-pyridineacetic Acid,5-diiodo-4-oxo-, Propyl Ester

64. Propyl 2-(3,5-diiodo-4-oxo-1,4-dihydropyridin-1-yl)acetate

65. Pyridine Acetic Acid, 3,5-diiodo-4-oxo-1(4h)-, Propyl Ester

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁I₂NO₃
Molecular Weight	447.01 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	446.88284 g/mol
Monoisotopic Mass	446.88284 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	341
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1